Sugi Predict

Sugi Predict / Compounds / SCHEMBL9947880

SCHEMBL9947880

SCHEMBL9947880

CC#Cc1ccnc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.46
▸ GRM5 P41594 9/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ TRPA1 O75762 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ LOX P28300 1/20 0.39
▸ LOXL3 P58215 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL39723 0.80 FFAR1 (0.44) FFAR1GRM5KCNH2TRPA1RECQL
SCHEMBL3500649 0.78 FFAR1 (0.56) FFAR1GRM5KCNH2TRPA1TDP1
SCHEMBL17761607 0.77 UHRF1 (0.48) FFAR1GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL5743348 0.77 CYP1A1 (0.36) FFAR1GRM5CYP1A1CYP1A2CYP1B1
SCHEMBL931687 0.75 CYP1A1 (0.35) FFAR1CYP1A1CYP1A2CYP1B1IDO1
SCHEMBL2529804 0.75 GRM5 (0.57) FFAR1GRM5KCNH2TRPA1ADRB3
SCHEMBL4734297 0.74 FFAR1 (0.50) FFAR1GRM5KCNH2ADRB3TSPO
SCHEMBL12804928 0.74 — —
SCHEMBL7016006 0.74 GRM5 (0.53) FFAR1GRM5KCNH2TRPA1RECQL
SCHEMBL29413268 0.74 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941132-B2 Pyrazole derivatives HUA MEDICINE (SHANGHAI) LTD. (CN) 2021-03-09 — — US disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 — — EP disclosed
EP-3176172-B1 SPIROIMIDAZOLE COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2020-01-29 — — EP disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 — — US disclosed
US-10231967-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2019-03-19 — — US disclosed
US-20190002432-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2019-01-03 — — US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 — — US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 — — US disclosed
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2018-08-09 — — US disclosed
US-9918985-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2018-03-20 — — US disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 — — US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 — — US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165346-A1 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 — — US disclosed
WO-2012087236-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 — — WO disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10941132-B2 Pyrazole derivatives GRM5, GRIK5, GRIN2C FFAR1 516/4885GRM5 1/4885KCNH2 1401/4885
US-20120165346-A1 Compounds and their use as BACE inhibitors BACE1, BACE2, PSEN1 FFAR1 3804/4885GRM5 2739/4885KCNH2 4827/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP FFAR1 3716/4885GRM5 2512/4885KCNH2 4796/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP FFAR1 3716/4885GRM5 2512/4885KCNH2 4796/4885
US-10231967-B2 Compounds and their use as BACE inhibitors BACE1, BACE2, APP FFAR1 3716/4885GRM5 2512/4885KCNH2 4796/4885
US-20180221367-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS BACE1, BACE2, APP FFAR1 3716/4885GRM5 2512/4885KCNH2 4796/4885
US-20190002432-A1 PYRAZOLE DERIVATIVES GRM5, GRIK5, GRIN2C FFAR1 516/4885GRM5 1/4885KCNH2 1401/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.